basic_info |
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| Product_Name: | 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT |
| CAS: | 27930-82-1 |
| EnglishSynonyms: | 2-(3-ETHYL-4-OXO-2-THIOXO-5-THIAZOLIDINYLIDENE)-3(2H)-BENZOTHIAZOLE PROPANE SULFONIC ACID TRIETHYLAMINE SALT ; 3-(3-SULFOPROPYL)-2-(3-ETHYL-4-OXO-2-THIOXO-THIAZOL-5-YLIDENE)-2,3-DIHYDRO-BENZOTHIAZOL TRIETHYLAMMONIUM SALT |
| pro_mdlNumber: | MFCD00142796 |
| pro_acceptors: | 6 |
| pro_donors: | 1 |
| pro_smile: | CCN1C(=O)/C(=C/2\N(c3ccccc3S2)CCCS(=O)(=O)O)/SC1=S.CCN(CC)CC |
| InChi: | InChI=1S/C15H16N2O4S4.C6H15N/c1-2-16-13(18)12(24-15(16)22)14-17(8-5-9-25(19,20)21)10-6-3-4-7-11(10)23-14;1-4-7(5-2)6-3/h3-4,6-7H,2,5,8-9H2,1H3,(H,19,20,21);4-6H2,1-3H3/b14-12-; |
| InChiKey: | InChIKey=ANVKFGXUTOSSME-CTMPBGLUSA-N |
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